N-[[5-(3-chlorophenyl)-1,3-thiazol-2-yl]methyl]cyclopentanamine

C15H17ClN2S — CID 53271603

IUPACN-[[5-(3-chlorophenyl)-1,3-thiazol-2-yl]methyl]cyclopentanamine
SMILESClc1cccc(-c2cnc(CNC3CCCC3)s2)c1
InChIInChI=1S/C15H17ClN2S/c16-12-5-3-4-11(8-12)14-9-18-15(19-14)10-17-13-6-1-2-7-13/h3-5,8-9,13,17H,1-2,6-7,10H2
InChIKeyDPFIEWWWJLGUNN-UHFFFAOYSA-N
MW292.83 g/mol
LogP4.50
Rot. Bonds4

About N-[[5-(3-chlorophenyl)-1,3-thiazol-2-yl]methyl]cyclopentanamine

N-[[5-(3-chlorophenyl)-1,3-thiazol-2-yl]methyl]cyclopentanamine (PubChem CID 53271603) has the molecular formula C15H17ClN2S and a molecular weight of 292.83 g/mol. Its IUPAC name is N-[[5-(3-chlorophenyl)-1,3-thiazol-2-yl]methyl]cyclopentanamine.

Molecular Properties

Compound NameN-[[5-(3-chlorophenyl)-1,3-thiazol-2-yl]methyl]cyclopentanamine
PubChem CID53271603
Molecular FormulaC15H17ClN2S
Molecular Weight292.83 g/mol
Exact Mass292.08
IUPAC NameN-[[5-(3-chlorophenyl)-1,3-thiazol-2-yl]methyl]cyclopentanamine
SMILESClc1cccc(-c2cnc(CNC3CCCC3)s2)c1
InChIInChI=1S/C15H17ClN2S/c16-12-5-3-4-11(8-12)14-9-18-15(19-14)10-17-13-6-1-2-7-13/h3-5,8-9,13,17H,1-2,6-7,10H2
InChIKeyDPFIEWWWJLGUNN-UHFFFAOYSA-N
XLogP4.50
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.83
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-N-[[5-(3-chlorophenyl)-1,3-thiazol-2-yl]methyl]piperidin-4-amine
CID 53271614
N-[[5-(3-methylphenyl)-1,3-thiazol-2-yl]methyl]cyclopentanamine
CID 53273092
N-[[5-(3-methoxyphenyl)-1,3-thiazol-2-yl]methyl]cyclopentanamine
CID 53272487
N-[[5-(4-bromophenyl)-1,3-thiazol-2-yl]methyl]cyclohexanamine
CID 53272842
N-[[5-(3-chlorophenyl)-1,3-thiazol-2-yl]methyl]-1-(2,4-dichlorophenyl)methanamine
CID 53271591
N-[[5-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]methyl]cyclopropanamine
CID 53272742
N-[[5-(3-chlorophenyl)-1,3-thiazol-2-yl]methyl]-1-(4-fluorophenyl)methanamine
CID 53271475
N-[[5-(3-chlorophenyl)-1,3-thiazol-2-yl]methyl]-1-(2-fluorophenyl)methanamine
CID 53271511
N-[(5-naphthalen-1-yl-1,3-thiazol-2-yl)methyl]cyclohexanamine
CID 53272820
N-[[5-(3-chlorophenyl)-1,3-thiazol-2-yl]methyl]-2-(2-fluorophenyl)ethanamine
CID 53271498
N-[[5-(3-chlorophenyl)furan-2-yl]methyl]cycloheptanamine;hydrochloride
CID 17332202
1-cyclohexyl-N-[(5-phenyl-1,3-thiazol-2-yl)methyl]methanamine
CID 53271572

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-chlorophenyl)-1,3-thiazol-2-yl]methyl]cyclopentanamine?
The IUPAC name of N-[[5-(3-chlorophenyl)-1,3-thiazol-2-yl]methyl]cyclopentanamine (CID 53271603) is N-[[5-(3-chlorophenyl)-1,3-thiazol-2-yl]methyl]cyclopentanamine.
What is the SMILES notation for N-[[5-(3-chlorophenyl)-1,3-thiazol-2-yl]methyl]cyclopentanamine?
The canonical SMILES for N-[[5-(3-chlorophenyl)-1,3-thiazol-2-yl]methyl]cyclopentanamine is Clc1cccc(-c2cnc(CNC3CCCC3)s2)c1.
What is the InChIKey of N-[[5-(3-chlorophenyl)-1,3-thiazol-2-yl]methyl]cyclopentanamine?
The InChIKey is DPFIEWWWJLGUNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2S/c16-12-5-3-4-11(8-12)14-9-18-15(19-14)10-17-13-6-1-2-7-13/h3-5,8-9,13,17H,1-2,6-7,10H2.
What are the key properties of N-[[5-(3-chlorophenyl)-1,3-thiazol-2-yl]methyl]cyclopentanamine?
N-[[5-(3-chlorophenyl)-1,3-thiazol-2-yl]methyl]cyclopentanamine has a molecular weight of 292.83 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-chlorophenyl)-1,3-thiazol-2-yl]methyl]cyclopentanamine is sourced from PubChem (CID 53271603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).